N-[3-(diethylamino)-3-oxopropyl]-2-fluoropyridine-4-carboxamide

C13H18FN3O2 — CID 61292893

IUPACN-[3-(diethylamino)-3-oxopropyl]-2-fluoropyridine-4-carboxamide
SMILESCCN(CC)C(=O)CCNC(=O)c1ccnc(F)c1
InChIInChI=1S/C13H18FN3O2/c1-3-17(4-2)12(18)6-8-16-13(19)10-5-7-15-11(14)9-10/h5,7,9H,3-4,6,8H2,1-2H3,(H,16,19)
InChIKeyQBUQWWZIXGPCKA-UHFFFAOYSA-N
MW267.30 g/mol
LogP1.21
Rot. Bonds6

About N-[3-(diethylamino)-3-oxopropyl]-2-fluoropyridine-4-carboxamide

N-[3-(diethylamino)-3-oxopropyl]-2-fluoropyridine-4-carboxamide (PubChem CID 61292893) has the molecular formula C13H18FN3O2 and a molecular weight of 267.30 g/mol. Its IUPAC name is N-[3-(diethylamino)-3-oxopropyl]-2-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(diethylamino)-3-oxopropyl]-2-fluoropyridine-4-carboxamide
PubChem CID61292893
Molecular FormulaC13H18FN3O2
Molecular Weight267.30 g/mol
Exact Mass267.14
IUPAC NameN-[3-(diethylamino)-3-oxopropyl]-2-fluoropyridine-4-carboxamide
SMILESCCN(CC)C(=O)CCNC(=O)c1ccnc(F)c1
InChIInChI=1S/C13H18FN3O2/c1-3-17(4-2)12(18)6-8-16-13(19)10-5-7-15-11(14)9-10/h5,7,9H,3-4,6,8H2,1-2H3,(H,16,19)
InChIKeyQBUQWWZIXGPCKA-UHFFFAOYSA-N
XLogP1.21
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[2-(dimethylamino)ethyl]-2-fluoropyridine-4-carboxamide
CID 61294521
2-fluoro-N-[3-oxo-3-(propan-2-ylamino)propyl]pyridine-4-carboxamide
CID 113228858
N-(3-ethoxypropyl)-2-fluoropyridine-4-carboxamide
CID 61292678
N-[2-[cyclopropyl(ethyl)amino]ethyl]-2-fluoropyridine-4-carboxamide
CID 113229925
N-ethyl-2-fluoro-N-(2-methylpropyl)pyridine-4-carboxamide
CID 61293621
N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-2-fluoropyridine-4-carboxamide
CID 61292713
2-fluoro-N-[2-[methyl(propan-2-yl)amino]ethyl]pyridine-4-carboxamide
CID 62641304
2-fluoro-N-(4-methylpentyl)pyridine-4-carboxamide
CID 61293855
methyl 3-[ethyl-(2-fluoropyridine-4-carbonyl)amino]propanoate
CID 103633415
N-(2-amino-2-oxoethyl)-N-ethyl-2-fluoropyridine-4-carboxamide
CID 103101741
3-bromo-N-[3-(diethylamino)-3-oxopropyl]benzamide
CID 47267566
2-fluoro-N-(4-methylsulfanylbutyl)pyridine-4-carboxamide
CID 115635789

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)-3-oxopropyl]-2-fluoropyridine-4-carboxamide?
The IUPAC name of N-[3-(diethylamino)-3-oxopropyl]-2-fluoropyridine-4-carboxamide (CID 61292893) is N-[3-(diethylamino)-3-oxopropyl]-2-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-[3-(diethylamino)-3-oxopropyl]-2-fluoropyridine-4-carboxamide?
The canonical SMILES for N-[3-(diethylamino)-3-oxopropyl]-2-fluoropyridine-4-carboxamide is CCN(CC)C(=O)CCNC(=O)c1ccnc(F)c1.
What is the InChIKey of N-[3-(diethylamino)-3-oxopropyl]-2-fluoropyridine-4-carboxamide?
The InChIKey is QBUQWWZIXGPCKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O2/c1-3-17(4-2)12(18)6-8-16-13(19)10-5-7-15-11(14)9-10/h5,7,9H,3-4,6,8H2,1-2H3,(H,16,19).
What are the key properties of N-[3-(diethylamino)-3-oxopropyl]-2-fluoropyridine-4-carboxamide?
N-[3-(diethylamino)-3-oxopropyl]-2-fluoropyridine-4-carboxamide has a molecular weight of 267.30 g/mol, XLogP of 1.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)-3-oxopropyl]-2-fluoropyridine-4-carboxamide is sourced from PubChem (CID 61292893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).